carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium

C28H26NiP+ — CID 87233489

IUPACcarbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium
SMILES[CH3-].[Ni+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C18H15P.C9H7.CH3.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;;/h1-15H;1-7H;1H3;/q;2*-1;+2/p+1
InChIKeyCHPSAZBDWOSQCA-UHFFFAOYSA-O
MW452.18 g/mol
LogP6.18
Rot. Bonds3

About carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium

carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium (PubChem CID 87233489) has the molecular formula C28H26NiP+ and a molecular weight of 452.18 g/mol. Its IUPAC name is carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium.

Molecular Properties

Compound Namecarbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium
PubChem CID87233489
Molecular FormulaC28H26NiP+
Molecular Weight452.18 g/mol
Exact Mass451.11
IUPAC Namecarbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium
SMILES[CH3-].[Ni+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C18H15P.C9H7.CH3.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;;/h1-15H;1-7H;1H3;/q;2*-1;+2/p+1
InChIKeyCHPSAZBDWOSQCA-UHFFFAOYSA-O
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.18
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium?
The IUPAC name of carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium (CID 87233489) is carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium.
What is the SMILES notation for carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium?
The canonical SMILES for carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium is [CH3-].[Ni+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium?
The InChIKey is CHPSAZBDWOSQCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C9H7.CH3.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;;/h1-15H;1-7H;1H3;/q;2*-1;+2/p+1.
What are the key properties of carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium?
carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium has a molecular weight of 452.18 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1H-inden-1-ide;nickel(2+);triphenylphosphanium is sourced from PubChem (CID 87233489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).